SCHEMBL30343341

SCHEMBL30343341

CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP3 Q9NY33 4/20 0.55
▸ F13A1 P00488 2/20 0.53
▸ TGM2 P21980 2/20 0.53
▸ CXCR4 P61073 2/20 0.53
▸ C5AR1 P21730 1/20 0.51
▸ CTSL P07711 3/20 0.51
▸ CTSS P25774 3/20 0.51
▸ CTSK P43235 3/20 0.51
▸ CTSH P09668 1/20 0.51
▸ KISS1R Q969F8 3/20 0.50
▸ NTSR2 O95665 1/20 0.50
▸ NTSR1 P30989 1/20 0.50
▸ SORT1 Q99523 1/20 0.50
▸ NPY1R P25929 1/20 0.50
▸ NPY2R P49146 1/20 0.50
▸ NPY4R P50391 1/20 0.50
▸ NPY5R Q15761 1/20 0.50
▸ CTNNB1 P35222 1/20 0.50
▸ CAPN1 P07384 2/20 0.49
▸ CTSB P07858 2/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30343340 0.92 C5AR1 (0.60) F13A1TGM2CXCR4C5AR1NTSR2
SCHEMBL34461110 0.91 DPP3 (0.53) DPP3F13A1TGM2CXCR4C5AR1
SCHEMBL31235874 0.91 CXCR4 (0.58) DPP3CXCR4CTSLCTSSCTSK
SCHEMBL29412263 0.90 CXCR4 (0.61) DPP3F13A1TGM2CXCR4C5AR1
SCHEMBL31208374 0.90 C5AR1 (0.58) F13A1TGM2CXCR4C5AR1NTSR2
SCHEMBL34461114 0.89 DPP3 (0.55) DPP3F13A1TGM2CXCR4C5AR1
SCHEMBL30273393 0.89 CXCR4 (0.61) DPP3F13A1TGM2CXCR4C5AR1
SCHEMBL30565410 0.89 C5AR1 (0.56) DPP3CXCR4C5AR1CTSLCTSS
SCHEMBL31001651 0.88 CXCR4 (0.59) DPP3F13A1TGM2CXCR4C5AR1
SCHEMBL30041739 0.88 CAPN1 (0.57) DPP3F13A1TGM2CXCR4C5AR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116120397-A Human cervical cancer cell specific membrane penetrating peptide and application thereof 南阳师范学院 2023-05-16 — — CN disclosed
Send feedback